5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C10H10BrN3O3S2 — CID 35142015

IUPAC5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H10BrN3O3S2/c1-6-12-13-10(18-6)14-19(15,16)9-5-7(11)3-4-8(9)17-2/h3-5H,1-2H3,(H,13,14)
InChIKeyNPTTVSLKYMFUFL-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.42
Rot. Bonds4

About 5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 35142015) has the molecular formula C10H10BrN3O3S2 and a molecular weight of 364.25 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID35142015
Molecular FormulaC10H10BrN3O3S2
Molecular Weight364.25 g/mol
Exact Mass362.93
IUPAC Name5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H10BrN3O3S2/c1-6-12-13-10(18-6)14-19(15,16)9-5-7(11)3-4-8(9)17-2/h3-5H,1-2H3,(H,13,14)
InChIKeyNPTTVSLKYMFUFL-UHFFFAOYSA-N
XLogP2.42
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 35142015) is 5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1nnc(C)s1.
What is the InChIKey of 5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is NPTTVSLKYMFUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3S2/c1-6-12-13-10(18-6)14-19(15,16)9-5-7(11)3-4-8(9)17-2/h3-5H,1-2H3,(H,13,14).
What are the key properties of 5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 364.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 35142015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).